4-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylpentanamide

C16H35N3O — CID 64710526

IUPAC4-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylpentanamide
SMILESCCCCN(C(C)CC)C(C)CC(C)(NCC)C(N)=O
InChIInChI=1S/C16H35N3O/c1-7-10-11-19(13(4)8-2)14(5)12-16(6,15(17)20)18-9-3/h13-14,18H,7-12H2,1-6H3,(H2,17,20)
InChIKeyKNBVGSKISJFIFY-UHFFFAOYSA-N
MW285.48 g/mol
LogP2.52
Rot. Bonds11

About 4-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylpentanamide

4-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylpentanamide (PubChem CID 64710526) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 4-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylpentanamide.

Molecular Properties

Compound Name4-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylpentanamide
PubChem CID64710526
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name4-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylpentanamide
SMILESCCCCN(C(C)CC)C(C)CC(C)(NCC)C(N)=O
InChIInChI=1S/C16H35N3O/c1-7-10-11-19(13(4)8-2)14(5)12-16(6,15(17)20)18-9-3/h13-14,18H,7-12H2,1-6H3,(H2,17,20)
InChIKeyKNBVGSKISJFIFY-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dibutylamino)-2-(ethylamino)-2-methylpentanamide
CID 64726423
2-(ethylamino)-2-methyl-4-[methyl(pentan-3-yl)amino]pentanamide
CID 64711729
4-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64710876
2-(ethylamino)-2-methyl-4-propoxypentanamide
CID 64708736
4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanamide
CID 64712177
2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanamide
CID 64710154
4-[1-cyclopropylethyl(methyl)amino]-2-(ethylamino)-2-methylpentanamide
CID 64709984
2-(ethylamino)-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66277020
2-methyl-2-(propylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanamide
CID 64712180
2-(ethylamino)-2-methyl-4-(2-methylbutan-2-yloxy)pentanamide
CID 64705904
2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanamide
CID 79481793
2-(ethylamino)-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanamide
CID 107755689

Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylpentanamide?
The IUPAC name of 4-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylpentanamide (CID 64710526) is 4-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylpentanamide.
What is the SMILES notation for 4-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylpentanamide?
The canonical SMILES for 4-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylpentanamide is CCCCN(C(C)CC)C(C)CC(C)(NCC)C(N)=O.
What is the InChIKey of 4-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylpentanamide?
The InChIKey is KNBVGSKISJFIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-7-10-11-19(13(4)8-2)14(5)12-16(6,15(17)20)18-9-3/h13-14,18H,7-12H2,1-6H3,(H2,17,20).
What are the key properties of 4-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylpentanamide?
4-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylpentanamide has a molecular weight of 285.48 g/mol, XLogP of 2.52, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(butyl)amino]-2-(ethylamino)-2-methylpentanamide is sourced from PubChem (CID 64710526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).